UCSF

ZINC12536210

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 27 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.44 3.56 -20.6 3 10 0 150 392.393 7
Hi High (pH 8-9.5) 1.44 3.63 -47.43 2 10 -1 152 391.385 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.